| SpectraBase Compound ID | AyzUgDgr43Y |
|---|---|
| InChI | InChI=1S/C12H11NO3/c1-8(14)13(2)10-7-9-5-3-4-6-11(9)16-12(10)15/h3-7H,1-2H3 |
| InChIKey | VAUAFOSUNKTDID-UHFFFAOYSA-N |
| Mol Weight | 217.22 g/mol |
| Molecular Formula | C12H11NO3 |
| Exact Mass | 217.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6dGZLpg8Jmf |
|---|---|
| Name | 3-Acetamidocoumarin, N-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.073893215 u |
| Formula | C12H11NO3 |
| InChI | InChI=1S/C12H11NO3/c1-8(14)13(2)10-7-9-5-3-4-6-11(9)16-12(10)15/h3-7H,1-2H3 |
| InChIKey | VAUAFOSUNKTDID-UHFFFAOYSA-N |
| Molecular Weight | 217.224 g/mol |
| SMILES | C1=CC=2OC(=O)C(=CC2C=C1)N(C(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911771 |